1-Acetylimidazole - ≥98% , CAS No.2466-76-4

CAS: 2466-76-4 Cat. No.: A100252 Molecular Weight: 110.11 Beilstein Registry Number: 108425 EC Number: 219-577-7
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
Acetylimidazole | 1-(1H-imidazol-1-yl)ethanone | 1-(1H-imidazol-1-yl)ethan-1-one | N-Acetylimidazole | 1-Acetyl-1H-imidazole | 1-imidazol-1-ylethanone
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
A100252-5g
1

$9.90

$14.90
Save $5.00 (33.56%)
25g
A100252-25g
1

$17.90

$26.90
Save $9.00 (33.46%)
100g
A100252-100g
1

$54.90

$82.90
Save $28.00 (33.78%)
500g
A100252-500g
2

$138.90

$208.90
Save $70.00 (33.51%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Acetylimidazole | 1-(1H-imidazol-1-yl)ethanone | 1-(1H-imidazol-1-yl)ethan-1-one | N-Acetylimidazole | 1-Acetyl-1H-imidazole | 1-imidazol-1-ylethanone
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(=O)N1C=CN=C1
IUPAC Name1-imidazol-1-ylethanone
InChIKeyVIHYIVKEECZGOU-UHFFFAOYSA-N
INCHI1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
Isomeric SMILES CC(=O)N1C=CN=C1
WGK Germany 3
RTECS NI3400000
Molecular Weight 110.11
Beilstein 108425
Reaxy-Rn 108425
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108425&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentCarbonylimidazoles
Alternative Parents N-acylimidazoles  Heteroaromatic compounds  Acetamides  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents N-acylimidazole - Imidazole-1-carbonyl group - N-substituted imidazole - Heteroaromatic compound - Acetamide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate TypeDateItem
H2217103Certificate of AnalysisJun 08, 2026 A100252
H2217105Certificate of AnalysisJun 08, 2026 A100252
H2217106Certificate of AnalysisJun 08, 2026 A100252
I1806026Certificate of AnalysisApr 15, 2026 A100252
F2424004Certificate of AnalysisJun 11, 2024 A100252
F2424005Certificate of AnalysisJun 11, 2024 A100252
F2424006Certificate of AnalysisJun 11, 2024 A100252
F2424007Certificate of AnalysisJun 11, 2024 A100252
F2424008Certificate of AnalysisJun 11, 2024 A100252
J2522098Certificate of AnalysisJun 11, 2024 A100252
H2217104Certificate of AnalysisJun 29, 2022 A100252
K2329219Certificate of AnalysisJun 29, 2022 A100252

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Chemical and Physical Properties
SolubilityHydrolyzes in water. Solubility in methanol (almost transparency).
SensitivityMoisture sensitive;light sensitive
Melt Point(°C)103-105°C
Molecular Weight110.110 g/mol
XLogP3-0.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass110.048 Da
Monoisotopic Mass110.048 Da
Topological Polar Surface Area34.900 Ų
Heavy Atom Count8
Formal Charge0
Complexity103.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Shan Zhao, Qiyan Huang, Yiran Wang, Yujing Wang, Wenyu Wang, BenxuYang, Aiguo Feng, Chao Li, Shufen Wu, Changlu Wang.  (2025)  Study on the inhibitory effect and mechanism of Monascus yellow pigments (ankaflavin and monascinon) on porcine pancreatic lipase.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.128884]
Solution Calculators
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